1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane

C10H14F2S — CID 170195010

IUPAC1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane
SMILESC=CS/C(=C\C)C1(C)CC(F)(F)C1
InChIInChI=1S/C10H14F2S/c1-4-8(13-5-2)9(3)6-10(11,12)7-9/h4-5H,2,6-7H2,1,3H3/b8-4-
InChIKeyZYNHHLNCHZXKBL-YWEYNIOJSA-N
MW204.28 g/mol
LogP4.20
Rot. Bonds3

About 1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane

1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane (PubChem CID 170195010) has the molecular formula C10H14F2S and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane.

Molecular Properties

Compound Name1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane
PubChem CID170195010
Molecular FormulaC10H14F2S
Molecular Weight204.28 g/mol
Exact Mass204.08
IUPAC Name1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane
SMILESC=CS/C(=C\C)C1(C)CC(F)(F)C1
InChIInChI=1S/C10H14F2S/c1-4-8(13-5-2)9(3)6-10(11,12)7-9/h4-5H,2,6-7H2,1,3H3/b8-4-
InChIKeyZYNHHLNCHZXKBL-YWEYNIOJSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Difluoromethyl)-3,6-dimethyl-6-methylsulfanylcyclohexene
CID 167163124

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane?
The IUPAC name of 1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane (CID 170195010) is 1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane.
What is the SMILES notation for 1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane?
The canonical SMILES for 1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane is C=CS/C(=C\C)C1(C)CC(F)(F)C1.
What is the InChIKey of 1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane?
The InChIKey is ZYNHHLNCHZXKBL-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H14F2S/c1-4-8(13-5-2)9(3)6-10(11,12)7-9/h4-5H,2,6-7H2,1,3H3/b8-4-.
What are the key properties of 1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane?
1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane has a molecular weight of 204.28 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-ethenylsulfanylprop-1-enyl]-3,3-difluoro-1-methylcyclobutane is sourced from PubChem (CID 170195010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).